General Information of the Compound
Compound ID
CP0106027
Compound Name
D-AP4
    Show/Hide
Synonyms
(2R)-2-amino-4-phosphonobutanoic acid
(R)-2-Amino-4-phosphonobutanoic acid
(r)-2-amino-4-phosphonobutyric acid
78739-01-2
AC1LT3KN
AKOS024456336
API0009835
B6201
BDBM82006
BN0083
Butanoic acid, 2
CHEMBL1319383
CTK2I0929
D-(-)-2-Amino-4-phosphonobutyric acid
D-AP4
D-APB
FCH3604711
FT-0772107
GTPL1443
Lopac-A-1910
MolPort-004-956-473
NCGC00015041-01
NCGC00015041-02
NCGC00024466-01
NCGC00024467-01
PDSP1_000361
PDSP2_000359
SCHEMBL12648443
Tocris-0101
Tocris-0102
ZINC1656225
d(-)-2-amino-4-phosphonobutyric acid
    Show/Hide
Structure
Formula
C4H10NO5P
Molecular Weight
183.1
Canonical SMILES
N[C@H](CCP(O)(O)=O)C(O)=O
    Show/Hide
InChI
InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m1/s1
    Show/Hide
InChIKey
DDOQBQRIEWHWBT-GSVOUGTGSA-N
Physicochemical Property
logP
-1.0339
Rotatable Bonds
4
Heavy Atom Count
11
Polar Areas
120.85
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
3
Complexity
11

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 1550579
ChEMBL ID
CHEMBL1319383
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02446, Metabotropic glutamate receptor 4
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 130 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT02445, Metabotropic glutamate receptor 6
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 1030 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT03457, Metabotropic glutamate receptor 7
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 > 100000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT04980, Metabotropic glutamate receptor 8
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 290 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( D-AP4 )
Drug Name D-AP4
Target(s)
Metabotropic glutamate receptor 8 (mGluR8)
 Target Info 
Agonist